2-fluoro-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide

C20H14FN3O2S — CID 53163739

IUPAC2-fluoro-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide
SMILESCc1ccc(-c2noc(-c3sccc3NC(=O)c3ccccc3F)n2)cc1
InChIInChI=1S/C20H14FN3O2S/c1-12-6-8-13(9-7-12)18-23-20(26-24-18)17-16(10-11-27-17)22-19(25)14-4-2-3-5-15(14)21/h2-11H,1H3,(H,22,25)
InChIKeyGBEGGHIVCXDCNC-UHFFFAOYSA-N
MW379.42 g/mol
LogP5.16
Rot. Bonds4

About 2-fluoro-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide

2-fluoro-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide (PubChem CID 53163739) has the molecular formula C20H14FN3O2S and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-fluoro-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide
PubChem CID53163739
Molecular FormulaC20H14FN3O2S
Molecular Weight379.42 g/mol
Exact Mass379.08
IUPAC Name2-fluoro-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide
SMILESCc1ccc(-c2noc(-c3sccc3NC(=O)c3ccccc3F)n2)cc1
InChIInChI=1S/C20H14FN3O2S/c1-12-6-8-13(9-7-12)18-23-20(26-24-18)17-16(10-11-27-17)22-19(25)14-4-2-3-5-15(14)21/h2-11H,1H3,(H,22,25)
InChIKeyGBEGGHIVCXDCNC-UHFFFAOYSA-N
XLogP5.16
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.42
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide (CID 53163739) is 2-fluoro-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide is Cc1ccc(-c2noc(-c3sccc3NC(=O)c3ccccc3F)n2)cc1.
What is the InChIKey of 2-fluoro-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide?
The InChIKey is GBEGGHIVCXDCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2S/c1-12-6-8-13(9-7-12)18-23-20(26-24-18)17-16(10-11-27-17)22-19(25)14-4-2-3-5-15(14)21/h2-11H,1H3,(H,22,25).
What are the key properties of 2-fluoro-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide?
2-fluoro-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide has a molecular weight of 379.42 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide is sourced from PubChem (CID 53163739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).